3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid

C14H20N2O3 — CID 28510898

IUPAC3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid
SMILESCC(C)(C)c1ccc(NC(=O)NCCC(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)10-4-6-11(7-5-10)16-13(19)15-9-8-12(17)18/h4-7H,8-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyGALQQPNQQODFOA-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.58
Rot. Bonds4

About 3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid

3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid (PubChem CID 28510898) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid
PubChem CID28510898
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid
SMILESCC(C)(C)c1ccc(NC(=O)NCCC(=O)O)cc1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)10-4-6-11(7-5-10)16-13(19)15-9-8-12(17)18/h4-7H,8-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyGALQQPNQQODFOA-UHFFFAOYSA-N
XLogP2.58
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-tert-butylphenyl)carbamoylamino]propanoic acid
CID 67975455
3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamoylamino]propanoic acid
CID 98035192
3-[(4-ethylphenyl)carbamoylamino]propanoic acid
CID 28510852
4-[(4-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107837896
4-(4-tert-butylanilino)-4-oxobutanoic acid
CID 670635
1-(4-tert-butylphenyl)-3-(chloromethyl)urea
CID 142021832
1-(4-tert-butylphenyl)-3-(3-phenylpropyl)urea
CID 108884934
3-[[4-(methylsulfanylmethyl)phenyl]carbamoylamino]propanoic acid
CID 122079099
N-[3-[(4-tert-butylphenyl)carbamoylamino]propyl]formamide
CID 108884840
4-[[4-(tert-butylcarbamoyl)phenyl]carbamoylamino]butanoic acid
CID 122075360
1-(4-tert-butylphenyl)-3-(2-methyl-2-phenylpropyl)urea
CID 113213276
3-[[4-(2,3-dihydroxypropylamino)phenyl]carbamoylamino]propanoic acid
CID 168594464

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid (CID 28510898) is 3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid is CC(C)(C)c1ccc(NC(=O)NCCC(=O)O)cc1.
What is the InChIKey of 3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid?
The InChIKey is GALQQPNQQODFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)10-4-6-11(7-5-10)16-13(19)15-9-8-12(17)18/h4-7H,8-9H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid?
3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 28510898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).